3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid

C24H23N3O3 — CID 155520773

IUPAC3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccnc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C24H23N3O3/c28-23(19-2-1-9-26-15-19)27-22-13-20(12-21(14-22)24(29)30)17-5-3-16(4-6-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2,(H,27,28)(H,29,30)
InChIKeyORZUNQGLLBDCQM-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.17
Rot. Bonds5

About 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid

3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid (PubChem CID 155520773) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid
PubChem CID155520773
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccnc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C24H23N3O3/c28-23(19-2-1-9-26-15-19)27-22-13-20(12-21(14-22)24(29)30)17-5-3-16(4-6-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2,(H,27,28)(H,29,30)
InChIKeyORZUNQGLLBDCQM-UHFFFAOYSA-N
XLogP4.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Substituted biphenyl derivative, 36x
CID 22336121
2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Substituted biphenyl derivative, 36y
CID 44592693
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
Pyrrolopyridine, 31
CID 16720315
2-[(Cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 44631844
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
CID 935607
4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
2-{3-[4-(1H-pyrrol-2-yl)phenyl]propanamido}benzoic acid
CID 24741306
5-[Methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
CID 44631846
AMPD2 inhibitor 1
CID 91970654

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid (CID 155520773) is 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)c2cccnc2)cc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid?
The InChIKey is ORZUNQGLLBDCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(19-2-1-9-26-15-19)27-22-13-20(12-21(14-22)24(29)30)17-5-3-16(4-6-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2,(H,27,28)(H,29,30).
What are the key properties of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid?
3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid has a molecular weight of 401.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylphenyl)-5-(pyridine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 155520773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).